SCHEMBL5144047

SCHEMBL5144047

O=[C]OCCOC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.47
F2 P00734 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6882851 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL137486 0.86 TDP1 (0.83) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL28286830 0.84 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL16217656 0.84 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL13292516 0.84 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL547137 0.84 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL18557873 0.84 TDP1 (0.61) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL844800 0.83 TDP1 (0.55) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL11125513 0.82 L3MBTL1 (0.49) TDP1LMNAMAPK1KMT2AALDH1A1
Ethylene SCHEMBL8622525 0.82 TDP1 (0.76) TDP1LMNAMAPK1HIF1ASLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US disclosed
EP-0139917-A1 Pharmaceutical preparations, acylated hydrazine derivatives, methods for their preparation CIBA-GEIGY AG (CH) 1985-05-08 EP disclosed
EP-0058779-B1 CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP disclosed